554-01-8

• 常用中文名：5-甲基胞嘧啶
• 常用英文名：5-METHYLCYTOSINE
• CAS号：554-01-8
• 分子式：C₅H₇N₃O
• 分子量：125.129
• 相关类别： 生物化工 核苷类药物 核苷酸及其类似物
• 发布时间：2018-02-09 08:00:00
• 更新时间：2025-08-24 18:12:01
• 5-Methylcytosine 是一种在原核生物和真核生物中充分表征的 DNA 修饰,也主要存在于丰富的非编码 RNA 中。拟南芥中的 mRNA 中的 5-Methylcytosine 是新的表位转录组标记,并且该修饰的调节是植物发育基因调控网络的组成部分。

名称

• 中文名: 5-甲基胞嘧啶
• 英文名: 5-methylcytosine
• 中文别名: 4-氨基-2-羟基-5-甲基嘧啶; 5-甲基胞嗪
• 英文别名: 6-amino-5-methyl-1H-pyrimidin-2-one; 5-Methylcytosine; EINECS 209-058-3; MFCD00233537

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 417.3ºC at 760 mmHg
• 熔点: >270ºC (>518ºCF)
• 分子式: C₅H₇N₃O
• 分子量: 125.129
• 闪点: 206.2ºC
• 精确质量: 125.058914
• PSA: 71.77000
• LogP: -1.12
• 外观性状: 结晶
• 折射率: 1.651
• 储存条件:

  二、贮存

  应密封于阴凉干燥处保存。

• 稳定性:

  一、基本性质

  水中析出者含1/2分子结晶水，最大吸收波长（pH2）210、283nm。

• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：31.72

  2、 摩尔体积（m³/mol）：86.8

  3、 等张比容（90.2K）：237.4

  4、 表面张力（dyne/cm）：55.8

  5、 极化率（10^-24cm³）：12.57

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-0.8

  2.氢键供体数量:2

  3.氢键受体数量:2

  4.可旋转化学键数量:0

  5.互变异构体数量:9

  6.拓扑分子极性表面积67.5

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:204

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多: 物性数据; 1. 熔点（ ℃ ）： 270 ℃ （起泡）

  2. 溶解性：1g产品溶于29ml水。

  3. 性状： 无色棱柱体结晶。

生物活性

• 描述: 5-Methylcytosine 是一种在原核生物和真核生物中充分表征的 DNA 修饰,也主要存在于丰富的非编码 RNA 中。拟南芥中的 mRNA 中的 5-Methylcytosine 是新的表位转录组标记,并且该修饰的调节是植物发育基因调控网络的组成部分。
• 相关类别:
  信号通路 >> 细胞周期/DNA损伤 >> DNA/RNA合成
  研究领域 >> 其他
• 参考文献:

  [1]. Cui X, et al. 5-Methylcytosine RNA Methylation in Arabidopsis Thaliana. Mol Plant. 2017 Nov 6;10(11):1387-1399.

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 5-Methylcytosine Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:5-Methylcytosine CAS number:554-01-8 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C5H7N3O Molecular weight:125.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xi
• RTECS号: UW7362350
• 海关编码: 2933599090

合成路线

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海关

海关编码	2933599090
中文概述	2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%